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Patent code US10336717

Compile Data Set for Download or QSAR

Found 549 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM195118
PNG
(US10336717, Compound 178 | US9212153, 178,Ex. 139)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1/C24H25ClFN3O2/c1-29-21(30)24(28-22(29)27)18-11-14(15-5-6-20(26)19(25)12-15)3-4-16(18)13-23(24)9-7-17(31-2)8-10-23/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,27,28)
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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195133
PNG
(US10336717, Compound 193 | US9212153, 193,Ex. 154)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25ClN4O2/c1-30-22(31)25(29-23(30)28)21-12-16(18-9-15(14-27)10-19(26)11-18)3-4-17(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,28,29)
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n/an/a 0.800n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195132
PNG
(US10336717, Compound 192 | US9212153, 192,Ex. 153)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O2/c1-30-22(31)25(29-23(30)28)21-12-16(18-9-15(14-27)10-19(26)11-18)3-4-17(21)13-24(25)7-5-20(32-2)6-8-24/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,28,29)
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n/an/a 0.960n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195123
PNG
(US10336717, Compound 183 | US9212153, 183,Ex. 144)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(F)c2)CC1
Show InChI InChI=1/C24H25F2N3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM403903
PNG
(US10336717, Compound 180)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(cc(c2)C#N)C#N)CC1
Show InChI InChI=1S/C26H25N5O2/c1-31-23(32)26(30-24(31)29)22-12-18(20-10-16(14-27)9-17(11-20)15-28)3-4-19(22)13-25(26)7-5-21(33-2)6-8-25/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,29,30)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195379
PNG
(US10336717, Compound 463 | US9212153, 463,Ex. 397)
Show SMILES CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cc(F)cc(Cl)c1
Show InChI InChI=1/C25H22ClFN4O2/c1-13-19-12-24(6-5-21(19)30-33-13)11-15-4-3-14(16-7-17(26)10-18(27)8-16)9-20(15)25(24)22(32)31(2)23(28)29-25/h3-4,7-10H,5-6,11-12H2,1-2H3,(H2,28,29)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404165
PNG
(US10336717, Compound 465)
Show SMILES CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H23ClN4O2/c1-14-19-13-24(9-8-21(19)29-32-14)12-17-7-6-16(15-4-3-5-18(26)10-15)11-20(17)25(24)22(31)30(2)23(27)28-25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,27,28)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195378
PNG
(US10336717, Compound 462 | US9212153, 462,Ex. 396 ...)
Show SMILES CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cccc(c1)C#N
Show InChI InChI=1/C26H23N5O2/c1-15-20-13-25(9-8-22(20)30-33-15)12-19-7-6-18(17-5-3-4-16(10-17)14-27)11-21(19)26(25)23(32)31(2)24(28)29-26/h3-7,10-11H,8-9,12-13H2,1-2H3,(H2,28,29)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM113278
PNG
(US10336717, Compound 418 | US8633212, 56 | US92121...)
Show SMILES CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1
Show InChI InChI=1/C22H22BrN3O/c1-26-19(27)22(25-20(26)24)18-12-17(23)7-6-16(18)13-21(22)10-8-14-4-2-3-5-15(14)9-11-21/h2-7,12H,8-11,13H2,1H3,(H2,24,25)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195117
PNG
(US10336717, Compound 177 | US9212153, 177,Ex. 138)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(Cl)c2)CC1
Show InChI InChI=1/C24H26ClN3O2/c1-28-21(29)24(27-22(28)26)20-13-16(15-4-3-5-18(25)12-15)6-7-17(20)14-23(24)10-8-19(30-2)9-11-23/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,26,27)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404041
PNG
(US10336717, Compound 333 | US10336717, Compound 33...)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C32H40N2O4S/c1-36-25-12-14-31(15-13-25)19-24-11-10-23(9-8-22-6-7-22)18-28(24)32(31)29(35)34(20-26-4-2-16-37-26)30(33-32)39-21-27-5-3-17-38-27/h10-11,18,22,25-27H,2-7,12-17,19-21H2,1H3
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195128
PNG
(US10336717, Compound 188 | US9212153, 188,Ex. 149)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(F)c2)CC1
Show InChI InChI=1/C23H25FN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195093
PNG
(US10336717, Compound 142 | US9212153, 142,Ex. 107)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1
Show InChI InChI=1/C29H31N3O2/c1-34-24-13-15-28(16-14-24)18-23-12-11-21(10-9-20-7-8-20)17-25(23)29(28)26(33)32(27(30)31-29)19-22-5-3-2-4-6-22/h2-6,11-12,17,20,24H,7-8,13-16,18-19H2,1H3,(H2,30,31)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM113298
PNG
(US10336717, Compound 76 | US8633212, 76 | US921215...)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2CC2)CC1
Show InChI InChI=1/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195520
PNG
(US10336717, Compound 245 | US9212153, 246,Ex. 199)
Show SMILES COC1CCC2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1/C22H29N3O3/c1-25-19(26)22(24-20(25)23)18-11-17(28-13-14-3-4-14)6-5-15(18)12-21(22)9-7-16(27-2)8-10-21/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H2,23,24)/t16?,21?,22-/s2
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195392
PNG
(US10336717, Compound 478 | US9212153, 478,Ex. 409)
Show SMILES COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1
Show InChI InChI=1/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/s2
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404041
PNG
(US10336717, Compound 333 | US10336717, Compound 33...)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C32H40N2O4S/c1-36-25-12-14-31(15-13-25)19-24-11-10-23(9-8-22-6-7-22)18-28(24)32(31)29(35)34(20-26-4-2-16-37-26)30(33-32)39-21-27-5-3-17-38-27/h10-11,18,22,25-27H,2-7,12-17,19-21H2,1H3
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM403872
PNG
(US10336717, Compound 147)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#CC2CCCC2)CC1
Show InChI InChI=1S/C26H32N2O2S/c1-28-23(29)26(27-24(28)31-3)22-16-19(9-8-18-6-4-5-7-18)10-11-20(22)17-25(26)14-12-21(30-2)13-15-25/h10-11,16,18,21H,4-7,12-15,17H2,1-3H3
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195536
PNG
(US10336717, Compound 523 | US9212153, 522,Ex. 420)
Show SMILES CN1C(N)=N[C@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1
Show InChI InChI=1/C23H25F2N3O2/c1-28-19(29)23(27-21(28)26)18-12-15(5-4-14-2-3-14)6-7-16(18)13-22(23)10-8-17(9-11-22)30-20(24)25/h6-7,12,14,17,20H,2-3,8-11,13H2,1H3,(H2,26,27)/t17-,22-,23-/s2
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195506
PNG
(US10336717, Compound 99 | US9212153, 99,Ex. 65)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)C#CC1CC1
Show InChI InChI=1/C22H25F2N3O2/c1-27-20(25)26-22(29-27)18-12-15(5-4-14-2-3-14)6-7-16(18)13-21(22)10-8-17(9-11-21)28-19(23)24/h6-7,12,14,17,19H,2-3,8-11,13H2,1H3,(H2,25,26)
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n/an/a 2.40n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195119
PNG
(US10336717, Compound 179 | US9212153, 179,Ex. 140)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccc(F)c(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O2/c1-30-22(31)25(29-23(30)28)20-12-16(15-5-6-21(26)18(11-15)14-27)3-4-17(20)13-24(25)9-7-19(32-2)8-10-24/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,28,29)
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n/an/a 2.60n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195418
PNG
(US10336717, Compound 1 | US9212153, 1)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
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n/an/a 2.60n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195127
PNG
(US10336717, Compound 187 | US9212153, 187,Ex. 148)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(Cl)c2)CC1
Show InChI InChI=1/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27)
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n/an/a 2.60n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404167
PNG
(US10336717, Compound 467)
Show SMILES CSC1=NC2(C(=O)N1C)c1cc(ccc1CC21CCc2noc(C)c2C1)C#CC1CC1
Show InChI InChI=1S/C25H25N3O2S/c1-15-19-14-24(11-10-21(19)27-30-15)13-18-9-8-17(7-6-16-4-5-16)12-20(18)25(24)22(29)28(2)23(26-25)31-3/h8-9,12,16H,4-5,10-11,13-14H2,1-3H3
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n/an/a 2.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195125
PNG
(US10336717, Compound 185 | US9212153, 185,Ex. 146)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(c2)C(F)(F)F)CC1
Show InChI InChI=1/C24H25F3N4O2/c1-31-20(32)23(30-21(31)28)19-10-14(16-9-17(13-29-12-16)24(25,26)27)3-4-15(19)11-22(23)7-5-18(33-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,28,30)
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n/an/a 2.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195129
PNG
(US10336717, Compound 189 | US9212153, 189,Ex. 150)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccnc2F)CC1
Show InChI InChI=1/C23H25FN4O2/c1-28-20(29)23(27-21(28)25)18-12-14(17-4-3-11-26-19(17)24)5-6-15(18)13-22(23)9-7-16(30-2)8-10-22/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,25,27)
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n/an/a 2.90n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM403875
PNG
(US10336717, Compound 150)
Show SMILES CSC1=NC2(C(=O)N1C)c1cc(ccc1CC21CCC(O)CC1)C#CC1CC1
Show InChI InChI=1S/C23H26N2O2S/c1-25-20(27)23(24-21(25)28-2)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(26)10-12-22/h7-8,13,15,18,26H,3-4,9-12,14H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195151
PNG
(US10336717, Compound 205 | US9212153, 214,Ex. 173)
Show SMILES COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195529
PNG
(US10336717, Compound 397 | US9212153, 397,Ex. 336)
Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F
Show InChI InChI=1/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/s2
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n/an/a 3.40n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195181
PNG
(US10336717, Compound 244 | US9212153, 244,Ex. 199)
Show SMILES COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1/C22H29N3O3/c1-25-19(26)22(24-20(25)23)18-11-17(28-13-14-3-4-14)6-5-15(18)12-21(22)9-7-16(27-2)8-10-21/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H2,23,24)
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n/an/a 3.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404075
PNG
(US10336717, Compound 370)
Show SMILES COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(CC3CCOC3)C2=O)CC1
Show InChI InChI=1S/C27H37N3O3/c1-32-22-8-11-26(12-9-22)15-21-7-6-19(5-4-18-2-3-18)14-23(21)27(26)24(31)30(25(28)29-27)16-20-10-13-33-17-20/h6-7,14,18,20,22H,2-5,8-13,15-17H2,1H3,(H2,28,29)
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n/an/a 3.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195419
PNG
(US10336717, Compound 2 | US9212153, 2)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1
Show InChI InChI=1/C24H25ClN4O2/c1-29-22(27)28-24(31-29)21-12-16(18-9-15(14-26)10-19(25)11-18)3-4-17(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,28)
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n/an/a 3.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195061
PNG
(US10336717, Compound 115 | US9212153, 115,Ex. 81)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(F)(F)F)CC1
Show InChI InChI=1/C20H22F3N3O2/c1-26-17(24)25-20(28-26)16-11-13(5-10-19(21,22)23)3-4-14(16)12-18(20)8-6-15(27-2)7-9-18/h3-4,11,15H,6-9,12H2,1-2H3,(H2,24,25)
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n/an/a 3.70n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM113392
PNG
(US10336717, Compound 578 | US8633212, 578 | US9212...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@]22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1/C24H27N3O3/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26)/t17-,23-,24-/s2
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n/an/a 3.90n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195158
PNG
(US10336717, Compound 224 | US9212153, 221,Ex. 179)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CCC(C)C)CC1
Show InChI InChI=1/C24H31N3O2/c1-16(2)6-5-7-17-8-9-18-15-23(12-10-19(29-4)11-13-23)24(20(18)14-17)21(28)27(3)22(25)26-24/h8-9,14,16,19H,6,10-13,15H2,1-4H3,(H2,25,26)
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n/an/a 4n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404239
PNG
(US10336717, Compound 541)
Show SMILES CCCSc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H29N3O2S/c1-4-11-27-16-6-5-14-13-20(9-7-15(26-3)8-10-20)21(17(14)12-16)18(25)24(2)19(22)23-21/h5-6,12,15H,4,7-11,13H2,1-3H3,(H2,22,23)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM403754
PNG
(A. Synthesis of 6′-bromospiro[cyclohexane-1,...)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C25H26N4O2/c1-29-22(30)25(28-23(29)27)21-13-18(17-5-3-4-16(12-17)15-26)6-7-19(21)14-24(25)10-8-20(31-2)9-11-24/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,27,28)
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n/an/a 4n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404127
PNG
(US10336717, Compound 425)
Show SMILES CN1C(=S)NC2(C1=O)c1cc(OCC3CC3)ccc1OC21CCc2ccccc2CC1
Show InChI InChI=1S/C25H26N2O3S/c1-27-22(28)25(26-23(27)31)20-14-19(29-15-16-6-7-16)8-9-21(20)30-24(25)12-10-17-4-2-3-5-18(17)11-13-24/h2-5,8-9,14,16H,6-7,10-13,15H2,1H3,(H,26,31)
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n/an/a 4.10n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195409
PNG
(US10336717, Compound 480 | US9212153, 480,Ex. 424)
Show SMILES COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)-c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1/C24H25Cl2N3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28)/t19?,23?,24-/s2
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n/an/a 4.20n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404014
PNG
(US10336717, Compound 305)
Show SMILES COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3nnc(C)o3)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-16-28-29-22(33-16)15-30-23(31)26(27-24(30)34)21-13-18(6-5-17-3-4-17)7-8-19(21)14-25(26)11-9-20(32-2)10-12-25/h7-8,13,17,20H,3-4,9-12,14-15H2,1-2H3,(H,27,34)
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n/an/a 4.30n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM113225
PNG
(US10336717, Compound 3 | US8633212, 3)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1/C22H27N3O2/c1-25-20(23)24-22(27-25)19-13-16(6-5-15-3-4-15)7-8-17(19)14-21(22)11-9-18(26-2)10-12-21/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,23,24)
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n/an/a 4.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM113364
PNG
(US10336717, Compound 543 | US8633212, 543 | US9212...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(=O)OC(C)C)C2=O)C#CC2CC2)CC1
Show InChI InChI=1/C27H33N3O4/c1-17(2)34-23(31)16-30-24(32)27(29-25(30)28)22-14-19(7-6-18-4-5-18)8-9-20(22)15-26(27)12-10-21(33-3)11-13-26/h8-9,14,17-18,21H,4-5,10-13,15-16H2,1-3H3,(H2,28,29)/t21-,26-,27?
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n/an/a 4.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195422
PNG
(US10336717, Compound 5 | US9212153, 5)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(Cl)c2)CC1
Show InChI InChI=1/C23H26ClN3O2/c1-27-21(25)26-23(29-27)20-13-16(15-4-3-5-18(24)12-15)6-7-17(20)14-22(23)10-8-19(28-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,25,26)
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n/an/a 4.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195091
PNG
(US10336717, Compound 140 | US9212153, 140,Ex. 105)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)-c2cncc(F)c2)CC1
Show InChI InChI=1/C29H29FN4O2/c1-36-24-9-11-28(12-10-24)15-21-8-7-20(22-13-23(30)17-32-16-22)14-25(21)29(28)26(35)34(27(31)33-29)18-19-5-3-2-4-6-19/h2-8,13-14,16-17,24H,9-12,15,18H2,1H3,(H2,31,33)
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n/an/a 4.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM403827
PNG
(US10336717, Compound 100)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H24F2N4O2/c1-30-22(28)29-24(32-30)20-12-17(16-4-2-3-15(11-16)14-27)5-6-18(20)13-23(24)9-7-19(8-10-23)31-21(25)26/h2-6,11-12,19,21H,7-10,13H2,1H3,(H2,28,29)
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n/an/a 4.70n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM404013
PNG
(US10336717, Compound 304)
Show SMILES COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCC(=O)OC)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C26H30N2O4S/c1-31-20-9-12-25(13-10-20)16-19-8-7-18(6-5-17-3-4-17)15-21(19)26(25)23(30)28(24(33)27-26)14-11-22(29)32-2/h7-8,15,17,20H,3-4,9-14,16H2,1-2H3,(H,27,33)
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n/an/a 4.70n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195423
PNG
(US10336717, Compound 6 | US9212153, 6)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1/C23H25Cl2N3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
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n/an/a 4.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM403886
PNG
(US10336717, Compound 161)
Show SMILES CO[C@H]1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C(C)C)C2=O)-c2cncc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C26H29F3N4O2/c1-15(2)33-22(34)25(32-23(33)30)21-11-16(18-10-19(14-31-13-18)26(27,28)29)4-5-17(21)12-24(25)8-6-20(35-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,30,32)/t20-,24?,25-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM403874
PNG
(US10336717, Compound 149)
Show SMILES CCOC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C25H30N2O2S/c1-4-29-20-11-13-24(14-12-20)16-19-10-9-18(8-7-17-5-6-17)15-21(19)25(24)22(28)27(2)23(26-25)30-3/h9-10,15,17,20H,4-6,11-14,16H2,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM195151
PNG
(US10336717, Compound 205 | US9212153, 214,Ex. 173)
Show SMILES COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)
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n/an/a 4.90n/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US10336717 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2NCD
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%